Predictions of the rotational and vibrational spectra of SiF+, PO+, and NS+ by Mo/ller–Plesset perturbation theory

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

1970 • 20,717 citations

Natural hybrid orbitals

1980 • 4,709 citations

Table of Isotopes

1967 • 3,631 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Natural bond orbital analysis of near-Hartree–Fock water dimer

1983 • 2,885 citations

The World of Quantum Chemistry

1974 • 678 citations

Self-consistent molecular orbital methods. XVIII. Constraints and stability in Hartree–Fock theory

1977 • 667 citations

A semi‐empirical <scp>MO</scp> theory for ionization potentials and electron affinities

1977 • 546 citations

Gaussian basis set for molecular wavefunctions containing second-row atoms

1968 • 482 citations

Thermochemical Data for Gaseous Monoxides

1983 • 372 citations

Potential energy curves for NO+

1979 • 163 citations

Electric Dipole Moment of SiO and GeO

1970 • 116 citations

Dissociation energies of the gaseous mono-halides of boron, aluminium, gallium, indium and thallium

1960 • 104 citations

High-Temperature Microwave Spectroscopy : AlF and AlCl

1965 • 94 citations

The prediction of nuclear quadrupole moments from a b i n i t i o quantum chemical studies on small molecules. I. The electric field gradients at the 14N and 2H nuclei in N2, NO, NO+, CN, CN−, HCN, HNC, and NH3

1987 • 82 citations

Molecular Beam Electric Resonance Spectrum of 31P14N

1971 • 82 citations

Microwave Spectrum of Carbon Monsulfide

1955 • 78 citations

Molecular Orbital Investigation of CF and SiF and Their Positive and Negative Ions

1971 • 74 citations

An a b i n i t i o investigation of the spectroscopic properties of BCl, CS, CCl+, BF, CO, CF+, N2, CN−, and NO+

1987 • 72 citations

The dipole moment of carbon monosulfide

1968 • 71 citations

Absolute cross sections for electron-impact ionization and dissociative ionization of the SiF free radical

1988 • 65 citations

Spectroscopic properties of CS and HCS+ from ab initio calculations

1985 • 64 citations

The infrared spectra of 12C32S, 12C34S, 13C32S, and 12C33S

1979 • 63 citations

The Band Spectrum of Silicon Monofluoride, SiF

1958 • 60 citations

Infrared diode laser spectra of the Δv = 1 band of AIF and the Δv = 2 band of KF

1982 • 58 citations

Millimeter and Submillimeter Wave Spectrum and Molecular Constants of Aluminum Monofluoride

1970 • 58 citations

Theoretical study of the X1Σ+, A1Π, C1Σ− and E1Σ+ states fo the SiO molecule

1979 • 57 citations

Mass-Spectrometric Studies at High Temperatures. II. The Dissociation Energies of the Monofluorides and Difluorides of Silicon and Germanium

1964 • 57 citations

The infrared spectrum of SiO near 1240 cm−1 and its relation to the circumstellar SiO maser

1981 • 56 citations

The prediction of nuclear quadrupole moments from a b i n i t i o quantum chemical studies on small molecules. II. The electric field gradients at the 17O, 35Cl, and 2H nuclei in CO, NO+, OH−, H2O, CH2O, HCl, LiCl, and FCl

1987 • 49 citations

Velocity modulation laser spectroscopy of vibrationally excited CF+ determination of the molecular potential function

1986 • 47 citations

Microwave Spectroscopy of Boron Chloride (BCl). The Chlorine Nuclear Quadrupole Coupling Constant

1983 • 47 citations

Dissociation Energies of Group IIIA Monofluorides—The Possibility of Potential Maxima in Their Excited Π States

1966 • 47 citations

Dissociation Energies, Enthalpies of Formation, Ionization Potentials, and Dipole Moments of NS and NS+

1970 • 46 citations

Determination of the Born–Oppenheimer potential function of CCl+ by velocity modulation diode laser spectroscopy

1986 • 46 citations

An emission system of CS in the vacuum and near ultraviolet

1972 • 45 citations

Millimeter spectrum of carbon monosulfide rare isotopes

1981 • 44 citations

Calculated structures and fluoride affinities for fluorides

1986 • 43 citations

Characterization of the ground ionic state of the NS molecule using photoelectron spectroscopy

1977 • 41 citations

Chemiluminescence and Radical Reactions in Diffusion Flames of Alkali Metals with Organic Halides

1964 • 40 citations

Ab initio calculations of radiative transition probabilities in the X1σ+ state of SiO and the X 2σ+and A 2 Π states of SiO+

1982 • 37 citations

A theoretical study of the excited electronic states of AlF

1974 • 36 citations

Fully numerical hartree-fock calculations on the third-row diatomics AlF, SiO, PN, CS, BCl, SH- and P2

1987 • 36 citations

A b i n i t i o study of structure and vibrational spectra of SN+, SN, and S2N2

1978 • 36 citations

An a b i n i t i o calculation of spectroscopic properties of SiO and HOSi+

1985 • 36 citations

Millimeter spectrum and molecular constants of silicon monoxide

1977 • 35 citations

Study of the ground state of PO+ using photoelectron spectroscopy

1982 • 32 citations

Infrared spectrum of boron chloride (BCl)

1982 • 32 citations

Electronic states of SiF and SiF+: Configuration-interaction studies

1987 • 30 citations

Dissociation energetics of SiF systems of relevance to etching reactions

1987 • 30 citations

The infrared spectrum of 31P14N near 1300 cm−1

1981 • 29 citations

The 1Σ+-X1Σ+ transition of the PN molecule

1981 • 26 citations

The electronic spectrum of PN. A configuration interaction study

1983 • 24 citations

Theoretical studies on low-lying electronic states of the CCl+, SiCl+, and GeCl+ ions

1983 • 23 citations

The electronic states of silicon monofluoride: Low-lying valence states

1985 • 23 citations

Ab initio calculations of infrared transition probabilities in the electronic ground states of AlF and AlF+

1984 • 23 citations

F₂ adsorption on Si observed with SIMS and QCM

1982 • 15 citations

Electronic states of NS+. A configuration-interaction study

1986 • 13 citations

Gaseous ion reactions in SiF4 and SiF4–D2 mixtures

1983 • 13 citations

Secondary Ion Analysis of Silicon under Ar⁺ Ion Etching in Chlorine and Fluorine Flux

1983 • 10 citations

Properties of the BCl molecule studied by fourth-order many-body perturbation theory

1987 • 9 citations

Chemical bonding of polyatomic-ion implants in Si

1985 • 6 citations